diff options
Diffstat (limited to 'R')
| -rw-r--r-- | R/chent.R | 12 |
1 files changed, 4 insertions, 8 deletions
@@ -21,7 +21,6 @@ #' the internet. Additionally, it can be generated using RDKit if RDKit and its #' python bindings are installed and configured for use with PythonInR. #' -#' @docType class #' @export #' @format An \code{\link{R6Class}} generator object #' @importFrom R6 R6Class @@ -47,8 +46,6 @@ #' @field soil_ff Dataframe of formation fractions #' @field soil_sorption Dataframe of soil sorption data #' @field PUF Plant uptake factor -#' @example inst/examples/octanol.R -#' @example inst/examples/caffeine.R #' @keywords data chent <- R6Class("chent", @@ -122,7 +119,7 @@ chent <- R6Class("chent", if (n_results > 1) { warning("Found ", n_results, " entries in PubChem, using the first one.") } - self$get_pubchem(pubchem_result[[1]][1]) + self$get_pubchem(pubchem_result[[1, "cid"]]) } }, get_pubchem = function(pubchem_cid) { @@ -296,7 +293,7 @@ chent <- R6Class("chent", stringsAsFactors = FALSE)) }, soil_degradation = NULL, - add_soil_degradation = function(soils, DT50, + add_soil_degradation = function(soils, DT50_mod, DT50_mod_ref, type = NA, country = NA, pH_orig = NA, pH_medium = NA, pH_H2O = NA, perc_OC = NA, @@ -306,7 +303,8 @@ chent <- R6Class("chent", remark = "", source, page = NA) { new_soil_degradation = data.frame( soil = soils, - DT50 = DT50, + DT50_mod = DT50_mod, + DT50_mod_ref = DT50_mod_ref, type = type, country = country, pH_orig = pH_orig, @@ -473,7 +471,6 @@ draw_svg.chent = function(x, width = 300, height = 150, #' @importFrom grImport grid.picture #' @param x The chent object to be plotted #' @param ... Further arguments passed to \code{\link{grid.picture}} -#' @example inst/examples/caffeine.R #' @export plot.chent = function(x, ...) { if (is.null(x$Picture)) stop("No Picture object in chent, was RDKit available during creation?") @@ -491,7 +488,6 @@ plot.chent = function(x, ...) { #' @format An \code{\link{R6Class}} generator object #' @field iso ISO common name according to ISO 1750 as retreived from www.alanwood.net/pesticides #' @field alanwood List of information retreived from www.alanwood.net/pesticides -#' @example inst/examples/pai.R #' @keywords data pai <- R6Class("pai", |